5-(4-methoxyphenyl)-N-[phenyl(pyridin-2-yl)methyl]thieno[2,3-d]pyrimidin-4-amine

C25H20N4OS — CID 18224691

IUPAC5-(4-methoxyphenyl)-N-[phenyl(pyridin-2-yl)methyl]thieno[2,3-d]pyrimidin-4-amine
SMILESCOc1ccc(-c2csc3ncnc(NC(c4ccccc4)c4ccccn4)c23)cc1
InChIInChI=1S/C25H20N4OS/c1-30-19-12-10-17(11-13-19)20-15-31-25-22(20)24(27-16-28-25)29-23(18-7-3-2-4-8-18)21-9-5-6-14-26-21/h2-16,23H,1H3,(H,27,28,29)
InChIKeyJMZSFNYQSWWYIK-UHFFFAOYSA-N
MW424.53 g/mol
LogP5.96
Rot. Bonds6

About 5-(4-methoxyphenyl)-N-[phenyl(pyridin-2-yl)methyl]thieno[2,3-d]pyrimidin-4-amine

5-(4-methoxyphenyl)-N-[phenyl(pyridin-2-yl)methyl]thieno[2,3-d]pyrimidin-4-amine (PubChem CID 18224691) has the molecular formula C25H20N4OS and a molecular weight of 424.53 g/mol. Its IUPAC name is 5-(4-methoxyphenyl)-N-[phenyl(pyridin-2-yl)methyl]thieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name5-(4-methoxyphenyl)-N-[phenyl(pyridin-2-yl)methyl]thieno[2,3-d]pyrimidin-4-amine
PubChem CID18224691
Molecular FormulaC25H20N4OS
Molecular Weight424.53 g/mol
Exact Mass424.14
IUPAC Name5-(4-methoxyphenyl)-N-[phenyl(pyridin-2-yl)methyl]thieno[2,3-d]pyrimidin-4-amine
SMILESCOc1ccc(-c2csc3ncnc(NC(c4ccccc4)c4ccccn4)c23)cc1
InChIInChI=1S/C25H20N4OS/c1-30-19-12-10-17(11-13-19)20-15-31-25-22(20)24(27-16-28-25)29-23(18-7-3-2-4-8-18)21-9-5-6-14-26-21/h2-16,23H,1H3,(H,27,28,29)
InChIKeyJMZSFNYQSWWYIK-UHFFFAOYSA-N
XLogP5.96
TPSA59.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500424.53
LogP ≤ 55.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-(4-methoxyphenyl)-N-[phenyl(pyridin-2-yl)methyl]thieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of 5-(4-methoxyphenyl)-N-[phenyl(pyridin-2-yl)methyl]thieno[2,3-d]pyrimidin-4-amine (CID 18224691) is 5-(4-methoxyphenyl)-N-[phenyl(pyridin-2-yl)methyl]thieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for 5-(4-methoxyphenyl)-N-[phenyl(pyridin-2-yl)methyl]thieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for 5-(4-methoxyphenyl)-N-[phenyl(pyridin-2-yl)methyl]thieno[2,3-d]pyrimidin-4-amine is COc1ccc(-c2csc3ncnc(NC(c4ccccc4)c4ccccn4)c23)cc1.
What is the InChIKey of 5-(4-methoxyphenyl)-N-[phenyl(pyridin-2-yl)methyl]thieno[2,3-d]pyrimidin-4-amine?
The InChIKey is JMZSFNYQSWWYIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20N4OS/c1-30-19-12-10-17(11-13-19)20-15-31-25-22(20)24(27-16-28-25)29-23(18-7-3-2-4-8-18)21-9-5-6-14-26-21/h2-16,23H,1H3,(H,27,28,29).
What are the key properties of 5-(4-methoxyphenyl)-N-[phenyl(pyridin-2-yl)methyl]thieno[2,3-d]pyrimidin-4-amine?
5-(4-methoxyphenyl)-N-[phenyl(pyridin-2-yl)methyl]thieno[2,3-d]pyrimidin-4-amine has a molecular weight of 424.53 g/mol, XLogP of 5.96, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-methoxyphenyl)-N-[phenyl(pyridin-2-yl)methyl]thieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 18224691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).